CID 680472

2,4,4-triphenyl-2-oxazolin-5-one

Structural Information

Molecular Formula
C21H15NO2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H15NO2/c23-20-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)22-19(24-20)16-10-4-1-5-11-16/h1-15H
InChIKey
FDCNXEHWJNKGOX-UHFFFAOYSA-N
Compound name
2,4,4-triphenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.1103 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11758 173.4
[M+Na]+ 336.09952 181.8
[M-H]- 312.10302 185.8
[M+NH4]+ 331.14412 187.9
[M+K]+ 352.07346 177.1
[M+H-H2O]+ 296.10756 163.3
[M+HCOO]- 358.10850 195.7
[M+CH3COO]- 372.12415 185.4
[M+Na-2H]- 334.08497 178.4
[M]+ 313.10975 173.1
[M]- 313.11085 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe